3-(1,3-thiazol-2-yl)oxan-4-ol

C8H11NO2S — CID 67258700

IUPAC3-(1,3-thiazol-2-yl)oxan-4-ol
SMILESOC1CCOCC1c1nccs1
InChIInChI=1S/C8H11NO2S/c10-7-1-3-11-5-6(7)8-9-2-4-12-8/h2,4,6-7,10H,1,3,5H2
InChIKeyVUEUSQSWZGVKAL-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.01
Rot. Bonds1

About 3-(1,3-thiazol-2-yl)oxan-4-ol

3-(1,3-thiazol-2-yl)oxan-4-ol (PubChem CID 67258700) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yl)oxan-4-ol.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yl)oxan-4-ol
PubChem CID67258700
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name3-(1,3-thiazol-2-yl)oxan-4-ol
SMILESOC1CCOCC1c1nccs1
InChIInChI=1S/C8H11NO2S/c10-7-1-3-11-5-6(7)8-9-2-4-12-8/h2,4,6-7,10H,1,3,5H2
InChIKeyVUEUSQSWZGVKAL-UHFFFAOYSA-N
XLogP1.01
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-yl)oxan-4-ol?
The IUPAC name of 3-(1,3-thiazol-2-yl)oxan-4-ol (CID 67258700) is 3-(1,3-thiazol-2-yl)oxan-4-ol.
What is the SMILES notation for 3-(1,3-thiazol-2-yl)oxan-4-ol?
The canonical SMILES for 3-(1,3-thiazol-2-yl)oxan-4-ol is OC1CCOCC1c1nccs1.
What is the InChIKey of 3-(1,3-thiazol-2-yl)oxan-4-ol?
The InChIKey is VUEUSQSWZGVKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c10-7-1-3-11-5-6(7)8-9-2-4-12-8/h2,4,6-7,10H,1,3,5H2.
What are the key properties of 3-(1,3-thiazol-2-yl)oxan-4-ol?
3-(1,3-thiazol-2-yl)oxan-4-ol has a molecular weight of 185.25 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-yl)oxan-4-ol is sourced from PubChem (CID 67258700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).